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Quite a tool for #compchem ppl playing with #macrocycles. pubs.acs.org/doi/10.1021/ac…

Here's something to look forward to biorender.com/covid-vaccine-… #COVID19 #lockdown #vaccine

Oxford dictionary should come up with new words to describe new events happening in our daily lives. What would be a word for playing hooky in a virtual meeting? 😀 #dictionary #englishvocabulary #lockdown #COVID19 #virtualmeetings #virtualclassroom #Zoom

Cryo-EM is the future. RIP X-ray. #structure #molecule #compchem #chemistry #biology biorxiv.org/content/10.110…

mobile.reuters.com/article/amp/id…

Parameter sets for monovalent ions for new water models. Recommended for simulations of proteins with ff19sb. #forcefields #compchem #chemtwitter pubs.acs.org/doi/10.1021/ac…

We also present a simple qualitative way to model close-shell repulsions. #sapt #almoeda #compchem #fukui #fmo #ChemistryThatMatters pubs.acs.org/doi/10.1021/ac…

Last week I had a great time at #Corteva2023Scholars meeting. Learnt a lot about #agriscience and exciting chemistry from other scholars. Thanks to ⁦Corteva Agriscience⁩ for hosting us and sharing ur #science. Special thanks to ⁦@JanelleKKirsch⁩ , ⁦Tejas K. Shah⁩ and team.

Xpeeps/tweeps at #ACSFall2023, come to my talk at 8:00am in room 209 S bldg and learn about computer-aided design. Thanks to @ACS_DivBioChem for the travel award!

#ACSFall2023 will be memorable one for me. Gave four talks in four different divisions (#BIOL, #ORG, #COMP, and #PHYS). Learnt a lot of exciting chemistry in various sessions. As always it was great to see old friends, mentors and advisors in the conference. #ACS #compchem #ucla

Congrats Krishnan!! Raghavachari Group. This is well deserved! 😀 Indiana University Chemistry Department ScIU American Chemical Society IU Bloomington #ACSAwards

Excited to share my #compchem work on [8+6] #cycloaddition! We explain the observed temperature dependence on periselectivity and highlight some limitations of CCSD(T). #physorg #dft #theorchem #dynamics The Journal of Physical Chemistry pubs.acs.org/doi/full/10.10…

Excited to share our collaborative work with @fasanlab on synthesis and mechanistic studies of enzyme mediated lactam ring formation via C–H amidation ⁦is out now in Nature Catalysis⁩ #enzyme #biocatalysis #compchem #orgchem #catalysis nature.com/articles/s4192…

Excited to share our collab work with Fasan Lab published in Nature Chemistry. #Compchem 💻involving both #QM calc. & MD #simulations for #enzymedesign that enhanced the product scope. Shoutout to David Vargas, Xinkun, & Satyajit Roy for 🧪👨‍🔬. UCLA Chem & Biochem shorturl.at/bfAH9

With American Chemical Society President-elect ⁦Dorothy J Phillips, PhD. ACS Fellow⁩ . ⁦sermacs2024⁩ starts tomorrow in #atlanta . Looking forward to catch up with some old friends and make some new friends. #SERMACS24 #newpi #hbcu #acs #compchem